| CAS Number | 16563-98-7 |
| Catalog Number | AG019U33(AGN-PC-06VRZL) |
| Chemical Name | 1-(5,6-dimethyl-1-benzofuran-2-yl)ethan-1-one |
| IUPAC Name | 1-(5,6-dimethyl-1-benzofuran-2-yl)ethanone |
| InChI | InChI=1S/C12H12O2/c1-7-4-10-6-11(9(3)13)14-12(10)5-8(7)2/h4-6H,1-3H3 |
| InChI Key | IGXOMTVOOXTCKI-UHFFFAOYSA-N |
| MDL Number | MFCD13816587 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | CC(C1OC2=C(C=C(C(=C2)C)C)C=1)=O |
| Synonyms | 1-(5,6-dimethyl-1-benzofuran-2-yl)ethan-1-one,
16563-98-7,
SCHEMBL20135967,
ZINC40175359,
AKOS002683560,
MCULE-6356433987,
NE25119,
CS-0062558,
1-(5,6-Dimethylbenzofuran-2-yl)ethan-1-one,
Z1342879042,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.226g/mol |
| Monoisotopic Mass | 188.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number